==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-10 3N5D . COMPND 2 MOLECULE: RIBOSOME INACTIVATING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA BALSAMINA; . AUTHOR N.PANDEY,G.S.KUSHWAHA,M.SINHA,P.KAUR,C.BETZEL,S.SHARMA,T.P.S . 246 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 1 1 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A D 0 0 130 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 154.9 -3.8 -27.5 1.4 2 2 A V E -a 50 0A 10 47,-2.2 49,-3.4 2,-0.0 2,-0.3 -0.900 360.0-159.8-117.8 160.5 -0.4 -26.6 0.1 3 3 A S E -a 51 0A 44 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.908 13.4-176.3-133.4 161.2 1.8 -23.6 1.0 4 4 A F E -a 52 0A 7 47,-2.0 49,-2.2 -2,-0.3 2,-0.5 -0.884 8.9-160.2-160.6 131.3 4.7 -21.4 -0.3 5 5 A R E -a 53 0A 145 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.946 8.7-160.8-117.9 121.7 6.5 -18.5 1.4 6 6 A L > + 0 0 16 47,-2.2 3,-1.4 -2,-0.5 2,-0.6 0.750 70.0 100.1 -73.4 -20.9 8.5 -16.1 -0.8 7 7 A S T 3 S- 0 0 68 47,-0.4 -2,-0.1 1,-0.3 3,-0.1 -0.533 106.8 -6.1 -70.6 112.5 10.3 -15.0 2.3 8 8 A G T 3 S+ 0 0 67 -2,-0.6 -1,-0.3 1,-0.2 5,-0.2 0.411 97.3 161.2 76.5 -0.6 13.7 -16.9 2.2 9 9 A A < + 0 0 13 -3,-1.4 -1,-0.2 4,-0.1 -3,-0.1 -0.159 8.7 167.9 -48.8 143.7 12.4 -18.8 -0.9 10 10 A D > - 0 0 60 -3,-0.1 4,-2.2 119,-0.0 5,-0.3 -0.923 55.2 -81.4-149.4 173.2 15.2 -20.4 -2.9 11 11 A P H > S+ 0 0 47 0, 0.0 4,-1.9 0, 0.0 161,-0.1 0.820 128.1 51.9 -52.6 -26.5 15.3 -23.0 -5.7 12 12 A S H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.969 109.2 42.7 -73.7 -61.3 14.9 -25.7 -3.1 13 13 A S H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.838 115.4 52.5 -56.3 -33.5 11.8 -24.6 -1.1 14 14 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.5 0.991 108.2 50.5 -65.0 -51.9 10.1 -23.7 -4.4 15 15 A G H X S+ 0 0 10 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.889 109.4 52.1 -48.6 -44.3 10.9 -27.2 -5.7 16 16 A M H X S+ 0 0 105 -4,-2.6 4,-2.7 1,-0.2 -1,-0.3 0.904 108.9 49.3 -60.9 -41.9 9.4 -28.6 -2.5 17 17 A F H X S+ 0 0 4 -4,-2.1 4,-3.1 -3,-0.5 -2,-0.2 0.929 110.1 50.0 -65.8 -42.5 6.2 -26.6 -3.0 18 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.957 111.2 50.3 -64.0 -39.9 5.8 -27.7 -6.6 19 19 A K H X S+ 0 0 125 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.918 111.9 47.6 -59.1 -44.2 6.3 -31.3 -5.3 20 20 A D H X S+ 0 0 74 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.909 110.1 53.7 -60.2 -42.8 3.6 -30.7 -2.6 21 21 A L H >X S+ 0 0 1 -4,-3.1 3,-0.8 1,-0.2 4,-0.6 0.971 110.4 44.9 -58.0 -53.1 1.3 -29.2 -5.2 22 22 A R H >< S+ 0 0 32 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.877 112.4 53.4 -56.5 -37.0 1.6 -32.3 -7.5 23 23 A N H 3< S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.665 100.2 60.1 -78.6 -21.4 1.1 -34.6 -4.5 24 24 A A H << S+ 0 0 42 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.605 87.0 89.8 -75.0 -16.4 -2.1 -32.9 -3.5 25 25 A L S << S- 0 0 5 -3,-1.0 2,-0.1 -4,-0.6 42,-0.1 -0.723 76.7-136.7 -86.2 124.8 -3.7 -33.8 -6.9 26 26 A P + 0 0 55 0, 0.0 12,-0.9 0, 0.0 2,-0.3 -0.442 31.7 157.2 -89.9 157.5 -5.4 -37.1 -6.7 27 27 A H E -F 37 0B 73 10,-0.2 10,-0.1 -2,-0.1 3,-0.1 -0.932 30.0-157.2-159.4 161.9 -5.4 -39.9 -9.3 28 28 A T E S+ 0 0 139 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.440 78.9 41.7-122.9 -7.8 -6.0 -43.7 -9.3 29 29 A E E -F 36 0B 97 7,-0.5 7,-2.4 5,-0.0 2,-0.4 -0.934 63.1-146.6-134.6 153.5 -4.0 -44.7 -12.4 30 30 A K E -F 35 0B 114 -2,-0.3 2,-0.5 5,-0.2 -3,-0.0 -0.930 10.4-152.7-115.0 148.1 -0.7 -43.8 -14.1 31 31 A V E > S-F 34 0B 3 3,-2.3 3,-2.4 -2,-0.4 169,-0.1 -0.993 84.8 -14.3-122.0 121.7 -0.3 -43.8 -17.8 32 32 A Y T 3 S- 0 0 86 -2,-0.5 -1,-0.2 1,-0.3 168,-0.0 0.854 131.1 -56.5 48.5 37.6 3.3 -44.5 -18.9 33 33 A N T 3 S+ 0 0 129 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.532 114.1 119.9 77.7 8.2 4.2 -43.8 -15.4 34 34 A I E < S-F 31 0B 8 -3,-2.4 -3,-2.3 205,-0.0 -1,-0.2 -0.909 73.3-106.8-105.9 123.9 2.6 -40.3 -15.3 35 35 A P E -F 30 0B 27 0, 0.0 205,-1.6 0, 0.0 2,-0.6 -0.205 30.8-141.7 -46.7 133.5 -0.2 -39.6 -12.8 36 36 A L E -Fg 29 240B 14 -7,-2.4 -8,-0.5 203,-0.2 -7,-0.5 -0.905 16.7-128.8 -99.9 115.0 -3.6 -39.4 -14.7 37 37 A L E -F 27 0B 0 203,-2.6 -10,-0.2 -2,-0.6 205,-0.2 -0.284 33.7 -94.8 -61.3 147.0 -5.9 -36.7 -13.2 38 38 A L - 0 0 36 -12,-0.9 204,-0.2 28,-0.3 -1,-0.1 -0.214 20.2-125.6 -63.0 152.7 -9.4 -37.8 -12.3 39 39 A P S S- 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.874 86.1 -24.6 -62.4 -37.3 -12.4 -37.4 -14.7 40 40 A S - 0 0 77 26,-0.0 2,-0.3 2,-0.0 205,-0.0 -0.969 50.9-150.6-167.8 163.2 -14.3 -35.4 -12.0 41 41 A V - 0 0 31 -2,-0.3 2,-0.4 -3,-0.1 5,-0.1 -0.974 26.7-127.2-142.8 138.7 -14.6 -35.0 -8.3 42 42 A S > - 0 0 120 -2,-0.3 3,-0.8 3,-0.1 2,-0.0 -0.727 58.5 -23.5 -98.5 139.2 -17.9 -34.0 -6.6 43 43 A G G > S- 0 0 23 -2,-0.4 3,-1.5 1,-0.2 4,-0.1 -0.323 118.5 -11.5 69.7-144.1 -18.4 -31.1 -4.2 44 44 A A G > S+ 0 0 62 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.757 120.7 71.3 -67.7 -29.0 -15.8 -29.5 -2.2 45 45 A G G < S+ 0 0 53 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.597 80.7 78.0 -70.8 -7.8 -13.1 -32.0 -2.7 46 46 A R G < S+ 0 0 46 -3,-1.5 20,-3.1 -5,-0.1 2,-0.5 0.697 87.7 71.1 -67.0 -16.5 -12.7 -30.8 -6.3 47 47 A Y E < - B 0 65A 20 -3,-2.0 2,-0.4 18,-0.2 18,-0.2 -0.872 62.4-158.5-119.5 123.5 -10.7 -27.8 -5.1 48 48 A L E - B 0 64A 13 16,-3.5 16,-3.4 -2,-0.5 2,-0.5 -0.815 15.9-141.4 -91.5 138.9 -7.2 -27.5 -3.7 49 49 A L E - B 0 63A 40 -2,-0.4 -47,-2.2 14,-0.2 2,-0.6 -0.914 12.3-164.1 -98.3 118.3 -6.3 -24.4 -1.5 50 50 A M E -aB 2 62A 1 12,-2.8 12,-2.7 -2,-0.5 2,-0.8 -0.921 7.2-153.3 -97.7 117.6 -2.8 -22.9 -2.1 51 51 A H E -aB 3 61A 41 -49,-3.4 -47,-2.0 -2,-0.6 2,-0.4 -0.853 18.2-174.5 -91.1 113.1 -1.7 -20.6 0.6 52 52 A L E -aB 4 60A 0 8,-2.7 8,-1.9 -2,-0.8 2,-0.4 -0.917 7.1-163.1-111.6 145.0 0.8 -18.2 -0.9 53 53 A F E -aB 5 59A 39 -49,-2.2 -47,-2.2 -2,-0.4 6,-0.2 -0.924 11.2-138.5-130.8 117.1 2.8 -15.6 1.1 54 54 A N > - 0 0 2 4,-2.8 3,-2.2 -2,-0.4 -47,-0.4 -0.294 42.1 -87.3 -69.1 174.2 4.6 -12.6 -0.2 55 55 A Y T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.845 129.8 49.1 -53.6 -39.7 8.0 -11.4 1.0 56 56 A D T 3 S- 0 0 130 1,-0.0 -1,-0.3 2,-0.0 -2,-0.0 0.447 121.4-106.6 -80.7 -1.4 6.4 -9.3 3.8 57 57 A G S < S+ 0 0 43 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.627 71.4 140.8 91.0 6.5 4.3 -12.2 4.8 58 58 A N - 0 0 87 -5,-0.0 -4,-2.8 1,-0.0 2,-0.3 -0.597 38.0-147.8 -78.1 155.8 0.9 -11.1 3.5 59 59 A T E -B 53 0A 55 -6,-0.2 18,-0.5 -2,-0.2 2,-0.3 -0.908 25.8-173.2-134.5 146.6 -1.2 -13.9 2.1 60 60 A I E -B 52 0A 1 -8,-1.9 -8,-2.7 -2,-0.3 2,-0.5 -0.936 21.0-138.4-121.9 159.3 -3.7 -15.0 -0.5 61 61 A T E -BC 51 75A 17 14,-2.0 14,-3.0 -2,-0.3 2,-0.5 -0.971 16.6-158.0-114.5 127.3 -5.4 -18.4 -0.9 62 62 A V E -BC 50 74A 0 -12,-2.7 -12,-2.8 -2,-0.5 2,-0.5 -0.925 8.1-142.2-109.9 130.0 -5.8 -19.7 -4.4 63 63 A A E -BC 49 73A 0 10,-2.4 9,-2.8 -2,-0.5 10,-1.0 -0.780 19.5-168.4 -88.7 126.9 -8.5 -22.3 -5.2 64 64 A V E -BC 48 71A 3 -16,-3.4 -16,-3.5 -2,-0.5 2,-0.7 -0.955 24.8-126.9-122.1 128.7 -7.4 -24.9 -7.8 65 65 A D E >>> -BC 47 70A 2 5,-2.5 4,-2.4 -2,-0.4 3,-1.2 -0.669 20.1-151.7 -71.6 112.9 -9.6 -27.5 -9.6 66 66 A V T 345S+ 0 0 7 -20,-3.1 -28,-0.3 -2,-0.7 -1,-0.2 0.594 89.0 61.8 -67.6 -10.5 -7.7 -30.8 -8.8 67 67 A T T 345S+ 0 0 0 -21,-0.4 175,-0.4 -30,-0.1 -1,-0.2 0.694 125.7 7.3 -89.6 -23.1 -9.0 -32.4 -12.1 68 68 A N T <45S- 0 0 21 -3,-1.2 -2,-0.2 2,-0.1 3,-0.1 0.368 92.6-116.8-136.1 -0.3 -7.3 -29.9 -14.5 69 69 A V T <5 + 0 0 2 -4,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.824 61.7 151.7 63.5 32.9 -5.0 -27.6 -12.5 70 70 A Y E < -C 65 0A 103 -5,-0.7 -5,-2.5 89,-0.0 2,-0.3 -0.834 48.4-124.4 -96.4 131.6 -7.1 -24.5 -13.4 71 71 A I E -C 64 0A 8 -2,-0.5 -7,-0.2 -7,-0.2 3,-0.1 -0.557 25.6-175.8 -71.4 128.0 -7.1 -21.7 -11.0 72 72 A M E - 0 0 1 -9,-2.8 11,-1.9 1,-0.4 2,-0.3 0.736 55.3 -60.7 -93.6 -36.9 -10.8 -20.9 -10.1 73 73 A G E -CD 63 82A 0 -10,-1.0 -10,-2.4 9,-0.2 -1,-0.4 -0.969 48.9-122.5 168.7-175.5 -10.2 -17.8 -7.9 74 74 A Y E -CD 62 81A 2 7,-1.9 7,-2.3 -2,-0.3 2,-0.5 -0.980 12.5-121.4-154.9 166.4 -8.6 -16.6 -4.7 75 75 A L E -CD 61 80A 45 -14,-3.0 -14,-2.0 -2,-0.3 2,-0.5 -0.961 19.3-175.5-121.5 126.1 -9.2 -15.1 -1.4 76 76 A A E > - D 0 79A 3 3,-2.6 3,-1.3 -2,-0.5 2,-0.3 -0.929 64.4 -55.8-123.9 102.4 -7.5 -11.8 -0.4 77 77 A L T 3 S- 0 0 139 -2,-0.5 -16,-0.1 -18,-0.5 63,-0.0 -0.485 120.2 -16.9 60.7-118.5 -8.3 -10.9 3.1 78 78 A T T 3 S+ 0 0 58 -2,-0.3 22,-1.7 21,-0.1 23,-1.1 0.167 123.0 81.8-104.7 21.6 -12.0 -10.7 3.5 79 79 A T E < -De 76 101A 10 -3,-1.3 -3,-2.6 20,-0.2 2,-0.3 -0.988 61.3-155.4-126.6 131.2 -12.8 -10.5 -0.2 80 80 A S E -De 75 102A 4 21,-2.3 23,-2.5 -2,-0.4 2,-0.3 -0.750 7.2-164.4-101.3 157.4 -13.0 -13.4 -2.7 81 81 A Y E -De 74 103A 4 -7,-2.3 -7,-1.9 -2,-0.3 2,-0.3 -1.000 7.7-179.2-136.0 138.2 -12.4 -13.1 -6.4 82 82 A F E -De 73 104A 6 21,-2.0 23,-2.8 -2,-0.3 -9,-0.2 -0.971 32.7-101.1-140.9 146.8 -13.4 -15.7 -9.1 83 83 A F - 0 0 4 -11,-1.9 2,-1.8 -2,-0.3 25,-0.3 -0.241 39.8-106.8 -56.6 158.6 -13.0 -15.8 -12.9 84 84 A N S S+ 0 0 101 23,-2.7 -1,-0.1 4,-0.1 3,-0.1 -0.649 84.9 103.8 -92.6 77.7 -16.1 -14.9 -15.1 85 85 A E S > S- 0 0 40 -2,-1.8 4,-2.6 23,-0.1 3,-0.3 -0.974 80.5-114.1-158.5 149.9 -16.7 -18.5 -16.1 86 86 A P H > S+ 0 0 116 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.909 114.7 54.7 -58.4 -40.7 -19.1 -21.3 -15.2 87 87 A A H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 112.7 43.7 -57.7 -44.2 -16.4 -23.6 -13.6 88 88 A A H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.858 111.0 53.3 -67.9 -40.1 -15.4 -20.7 -11.3 89 89 A D H < S+ 0 0 96 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.932 109.7 50.3 -60.8 -44.7 -19.0 -19.7 -10.5 90 90 A L H >< S+ 0 0 70 -4,-3.4 3,-1.6 1,-0.2 4,-0.4 0.915 107.9 52.5 -58.1 -44.7 -19.5 -23.4 -9.5 91 91 A A H >X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 3,-2.0 0.851 98.1 65.6 -60.6 -31.7 -16.3 -23.3 -7.3 92 92 A S T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.711 90.7 65.8 -63.7 -14.8 -17.7 -20.2 -5.6 93 93 A Q T <4 S+ 0 0 100 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.758 116.3 25.5 -75.4 -19.8 -20.5 -22.5 -4.3 94 94 A Y T <4 S+ 0 0 105 -3,-2.0 2,-0.3 -4,-0.4 3,-0.2 0.746 112.2 54.6-114.6 -35.2 -17.8 -24.3 -2.2 95 95 A V S < S+ 0 0 16 -4,-2.4 -1,-0.1 1,-0.2 -21,-0.1 -0.845 106.6 8.2-112.4 145.4 -14.7 -22.2 -1.4 96 96 A F S > S+ 0 0 25 -2,-0.3 3,-2.3 1,-0.1 -1,-0.2 0.671 71.0 150.3 69.3 20.2 -14.2 -18.9 0.4 97 97 A R T 3 + 0 0 185 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.794 65.1 62.1 -55.5 -28.2 -17.9 -18.8 1.4 98 98 A S T 3 S+ 0 0 120 -19,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.373 73.8 121.1 -86.1 10.8 -17.0 -16.8 4.5 99 99 A A S < S- 0 0 20 -3,-2.3 -20,-0.2 1,-0.1 -21,-0.1 -0.409 70.2-127.7 -62.8 146.0 -15.6 -13.8 2.5 100 100 A R S S+ 0 0 216 -22,-1.7 2,-0.3 1,-0.2 -21,-0.2 0.861 89.7 6.0 -67.8 -32.2 -17.4 -10.6 3.4 101 101 A R E -e 79 0A 141 -23,-1.1 -21,-2.3 2,-0.0 2,-0.4 -0.971 67.6-139.4-147.1 164.2 -18.0 -9.9 -0.4 102 102 A K E -e 80 0A 106 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.990 13.8-164.7-128.3 124.3 -17.4 -11.8 -3.6 103 103 A I E -e 81 0A 30 -23,-2.5 -21,-2.0 -2,-0.4 2,-0.6 -0.939 11.7-146.3-106.6 132.9 -16.1 -10.1 -6.7 104 104 A T E -e 82 0A 69 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.885 25.5-124.7 -90.3 133.1 -16.3 -11.7 -10.1 105 105 A L - 0 0 2 -23,-2.8 -24,-0.0 -2,-0.6 -1,-0.0 -0.276 19.5-118.9 -56.7 154.1 -13.3 -10.7 -12.2 106 106 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.273 93.1 48.3 -83.3 18.3 -14.2 -9.1 -15.6 107 107 A Y S S- 0 0 17 -22,-0.0 -23,-2.7 37,-0.0 -2,-0.1 -0.933 80.7-119.4-146.5 155.6 -12.5 -11.9 -17.5 108 108 A S - 0 0 21 -2,-0.3 -23,-0.1 -25,-0.3 -26,-0.0 -0.243 41.0 -97.3 -81.9-175.3 -12.4 -15.7 -17.5 109 109 A G S S+ 0 0 15 -2,-0.1 -38,-0.1 -38,-0.1 2,-0.1 0.365 77.0 115.5 -95.5 3.3 -9.2 -17.6 -16.8 110 110 A N S > S- 0 0 76 1,-0.1 4,-2.4 4,-0.0 5,-0.3 -0.454 72.3-116.0 -82.3 157.1 -7.8 -18.6 -20.2 111 111 A Y H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 110.5 54.4 -53.3 -48.4 -4.6 -17.2 -21.5 112 112 A E H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 112.6 42.1 -51.4 -53.9 -6.1 -15.3 -24.5 113 113 A R H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.831 113.5 51.1 -65.3 -39.2 -8.6 -13.4 -22.3 114 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.881 109.9 51.5 -66.5 -33.3 -6.1 -12.6 -19.5 115 115 A Q H X>S+ 0 0 23 -4,-2.4 5,-1.6 -5,-0.3 4,-1.2 0.852 109.8 49.4 -73.2 -38.7 -3.6 -11.3 -22.2 116 116 A I H ><5S+ 0 0 116 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.967 114.0 45.8 -59.3 -51.8 -6.3 -9.1 -23.6 117 117 A A H 3<5S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.9 47.0 -58.1 -45.0 -7.1 -7.8 -20.1 118 118 A A H 3<5S- 0 0 22 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.679 107.3-125.9 -72.1 -21.6 -3.4 -7.3 -19.2 119 119 A G T <<5S+ 0 0 65 -4,-1.2 -3,-0.2 -3,-0.6 -4,-0.1 0.707 78.7 62.6 81.4 21.8 -2.7 -5.5 -22.5 120 120 A K S - 0 0 43 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.428 37.6-114.5 -78.1 160.4 1.0 -11.4 -24.5 122 122 A R G > S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 64,-0.0 0.699 109.0 78.1 -75.6 -9.9 2.8 -13.5 -21.8 123 123 A E G 3 S+ 0 0 89 1,-0.2 -1,-0.3 57,-0.1 57,-0.0 0.753 99.9 44.7 -54.1 -24.5 5.9 -13.7 -24.1 124 124 A K G < S+ 0 0 137 -3,-1.8 -1,-0.2 56,-0.1 -2,-0.2 0.379 93.9 91.0-110.9 7.5 6.5 -10.2 -22.9 125 125 A I S < S- 0 0 18 -3,-1.3 54,-0.1 -4,-0.1 -1,-0.1 -0.875 73.9-132.1-108.4 112.3 5.8 -10.7 -19.1 126 126 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.210 25.2-165.6 -60.5 147.1 8.8 -11.7 -17.0 127 127 A I B +H 179 0C 0 52,-2.0 52,-2.1 50,-0.1 2,-0.3 -0.916 29.8 103.4-128.8 160.5 8.3 -14.6 -14.6 128 128 A G S > S- 0 0 0 -2,-0.3 4,-2.1 50,-0.2 47,-0.2 -0.895 81.7 -63.0 155.5-178.1 10.2 -15.9 -11.7 129 129 A L H > S+ 0 0 4 45,-1.7 4,-2.1 42,-0.5 5,-0.2 0.907 130.5 52.1 -67.4 -41.7 10.0 -15.9 -7.9 130 130 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.939 110.2 50.0 -63.3 -37.5 10.4 -12.1 -7.6 131 131 A A H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.897 107.2 53.8 -63.5 -37.8 7.5 -11.7 -10.1 132 132 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.874 105.8 53.9 -56.5 -44.0 5.4 -14.1 -8.1 133 133 A D H X S+ 0 0 40 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.914 110.8 45.5 -59.5 -40.1 6.0 -12.0 -5.0 134 134 A T H X S+ 0 0 83 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.895 111.0 54.4 -60.6 -53.1 4.7 -8.9 -7.0 135 135 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.945 108.7 47.8 -45.0 -60.1 1.7 -11.0 -8.3 136 136 A I H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.931 112.4 50.3 -48.8 -49.4 0.7 -11.9 -4.8 137 137 A S H >< S+ 0 0 44 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.930 110.5 48.9 -63.8 -42.0 1.1 -8.2 -3.7 138 138 A T H >< S+ 0 0 41 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.871 106.0 55.0 -60.6 -39.8 -1.1 -7.0 -6.5 139 139 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.666 89.6 79.3 -74.7 -14.9 -3.9 -9.5 -6.0 140 140 A L T << S+ 0 0 29 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.3 0.785 101.0 37.1 -63.3 -26.8 -4.1 -8.2 -2.4 141 141 A H S < S- 0 0 150 -3,-1.4 -1,-0.2 -4,-0.4 6,-0.0 -0.977 99.5-102.5-134.5 134.0 -6.1 -5.2 -3.6 142 142 A Y + 0 0 97 -2,-0.4 2,-0.2 -3,-0.1 -3,-0.1 -0.136 56.6 141.4 -59.8 124.4 -8.6 -5.2 -6.4 143 143 A D > - 0 0 82 1,-0.1 4,-3.0 -5,-0.1 5,-0.2 -0.701 31.3-162.5-153.3 97.3 -7.3 -3.8 -9.7 144 144 A S H > S+ 0 0 32 1,-0.2 4,-1.4 -2,-0.2 -1,-0.1 0.800 86.7 48.6 -59.5 -35.4 -8.6 -5.8 -12.6 145 145 A T H > S+ 0 0 89 2,-0.2 4,-1.0 1,-0.2 3,-0.2 0.936 117.3 40.6 -66.8 -49.5 -6.1 -4.6 -15.2 146 146 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.832 111.3 60.4 -67.7 -35.4 -3.0 -5.3 -13.0 147 147 A A H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.864 95.8 60.0 -58.6 -33.2 -4.6 -8.5 -11.8 148 148 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.956 109.9 41.2 -64.4 -46.2 -4.7 -10.0 -15.2 149 149 A G H X S+ 0 0 17 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.925 114.2 53.6 -67.3 -38.1 -0.9 -9.7 -15.6 150 150 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.915 108.8 48.6 -62.3 -44.8 -0.5 -10.9 -12.0 151 151 A L H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.864 106.7 56.6 -63.4 -39.3 -2.7 -14.0 -12.7 152 152 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.926 111.9 43.2 -54.5 -42.4 -0.7 -14.8 -15.8 153 153 A V H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 114.8 49.5 -68.2 -46.6 2.4 -14.8 -13.6 154 154 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 5,-0.4 0.908 109.9 49.6 -64.5 -38.2 0.7 -16.9 -10.9 155 155 A I H >X>S+ 0 0 19 -4,-3.1 5,-2.3 1,-0.2 4,-1.1 0.916 113.0 47.4 -65.3 -49.1 -0.7 -19.6 -13.2 156 156 A Q H 3<>S+ 0 0 0 -4,-1.8 5,-0.9 -5,-0.3 -1,-0.2 0.870 113.7 45.9 -61.0 -39.0 2.7 -20.1 -14.9 157 157 A T H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.420 127.2 25.0 -87.6 -3.4 4.7 -20.3 -11.7 158 158 A T H X -I 237 0D 0 -4,-1.9 4,-1.9 73,-0.2 3,-0.7 -0.976 59.5-152.7-134.0 127.5 6.0 -29.8 -16.5 165 165 A K H 3> S+ 0 0 80 71,-3.2 4,-2.3 -2,-0.4 5,-0.2 0.872 99.9 57.8 -66.4 -33.6 9.4 -30.4 -14.9 166 166 A Y H 3> S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.899 105.4 49.8 -60.4 -37.0 11.1 -28.2 -17.4 167 167 A I H <> S+ 0 0 0 -3,-0.7 4,-2.2 -7,-0.3 -6,-0.2 0.931 107.0 54.4 -77.7 -33.6 8.9 -25.2 -16.4 168 168 A E H X S+ 0 0 16 -4,-1.9 4,-2.3 -7,-0.5 -1,-0.2 0.941 109.7 48.9 -57.4 -45.5 9.6 -25.8 -12.7 169 169 A Q H X S+ 0 0 85 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.874 106.5 55.7 -65.0 -39.4 13.4 -25.6 -13.6 170 170 A Q H X S+ 0 0 14 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.931 109.5 46.4 -54.2 -47.4 12.8 -22.4 -15.6 171 171 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -42,-0.5 0.903 110.1 52.8 -64.2 -41.7 11.3 -20.8 -12.4 172 172 A Q H >< S+ 0 0 51 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.836 106.5 53.7 -62.8 -33.3 14.1 -22.1 -10.2 173 173 A E H 3< S+ 0 0 147 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.799 110.1 49.4 -68.2 -26.5 16.6 -20.5 -12.7 174 174 A R T << S+ 0 0 8 -4,-1.1 -45,-1.7 -3,-0.6 -1,-0.3 -0.129 73.4 124.1-104.2 33.0 14.6 -17.2 -12.2 175 175 A A S < S+ 0 0 8 -3,-1.1 -1,-0.2 -47,-0.2 3,-0.1 0.714 89.5 13.6 -62.9 -28.5 14.7 -17.4 -8.4 176 176 A Y S S+ 0 0 165 -3,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.325 131.2 45.0-130.9 1.1 16.3 -14.0 -7.9 177 177 A R S S- 0 0 181 -4,-0.1 -1,-0.3 -50,-0.1 -48,-0.1 -0.895 76.3-136.6-149.6 116.8 15.9 -12.4 -11.3 178 178 A D + 0 0 51 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.349 24.6 176.1 -67.5 154.5 12.8 -12.5 -13.5 179 179 A E B -H 127 0C 99 -52,-2.1 -52,-2.0 -54,-0.1 3,-0.1 -0.956 39.1 -95.3-151.0 150.7 12.9 -13.3 -17.2 180 180 A V - 0 0 57 -2,-0.3 -57,-0.1 -54,-0.3 -56,-0.1 -0.252 57.2 -94.7 -58.7 151.2 10.3 -13.7 -19.9 181 181 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -56,-0.0 -0.369 41.8-106.7 -66.5 150.0 9.5 -17.5 -20.3 182 182 A S > - 0 0 29 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.309 29.1-111.4 -69.0 159.8 11.4 -19.3 -23.1 183 183 A S H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 33,-0.2 0.853 120.9 60.6 -64.8 -26.5 9.4 -20.1 -26.2 184 184 A A H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.919 103.3 51.5 -55.6 -45.5 9.7 -23.8 -25.2 185 185 A T H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 110.7 46.6 -59.2 -48.1 7.9 -22.9 -22.0 186 186 A I H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.918 112.0 52.2 -55.7 -51.1 5.1 -21.2 -24.0 187 187 A S H X S+ 0 0 14 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.952 109.5 48.1 -51.4 -52.3 4.9 -24.3 -26.3 188 188 A L H >X S+ 0 0 7 -4,-3.0 3,-0.8 1,-0.2 4,-0.6 0.923 111.4 50.5 -59.4 -48.4 4.6 -26.7 -23.4 189 189 A E H >< S+ 0 0 10 -4,-2.3 3,-1.0 1,-0.3 4,-0.3 0.944 113.0 46.4 -50.4 -50.7 1.8 -24.6 -21.8 190 190 A N H 3< S+ 0 0 103 -4,-2.7 4,-0.3 1,-0.2 -1,-0.3 0.664 115.3 46.5 -66.8 -19.1 -0.0 -24.5 -25.0 191 191 A S H S+ 0 0 44 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.948 116.0 49.5 -58.0 -53.7 -4.0 -30.8 -23.3 194 194 A G H > S+ 0 0 33 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.904 114.0 45.2 -53.2 -44.7 -2.8 -32.2 -26.7 195 195 A L H X S+ 0 0 1 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.892 109.8 54.0 -66.1 -41.7 0.1 -34.1 -25.0 196 196 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.916 112.2 45.5 -59.5 -42.9 -2.1 -35.4 -22.3 197 197 A K H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.891 112.7 48.6 -66.8 -43.4 -4.5 -36.8 -25.0 198 198 A Q H X S+ 0 0 13 -4,-2.1 4,-1.2 2,-0.2 12,-0.2 0.809 109.2 52.9 -70.4 -30.1 -1.8 -38.3 -27.2 199 199 A I H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.895 111.5 47.2 -70.3 -42.6 -0.1 -40.1 -24.3 200 200 A Q H >< S+ 0 0 12 -4,-1.6 3,-1.2 -5,-0.2 4,-0.3 0.909 111.2 50.5 -66.5 -38.6 -3.5 -41.6 -23.4 201 201 A L H >< S+ 0 0 64 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.747 99.7 65.5 -70.0 -23.6 -4.2 -42.7 -27.0 202 202 A A G ><>S+ 0 0 0 -4,-1.2 5,-2.7 1,-0.2 3,-1.8 0.717 80.2 83.6 -69.9 -16.6 -0.8 -44.3 -27.2 203 203 A Q G < 5S+ 0 0 97 -3,-1.2 3,-0.3 -4,-0.4 -1,-0.2 0.847 106.0 25.4 -59.6 -38.0 -2.0 -46.8 -24.5 204 204 A G G < 5S+ 0 0 70 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.147 115.4 65.5-108.2 22.3 -3.6 -49.0 -27.2 205 205 A N T X 5S- 0 0 40 -3,-1.8 3,-1.5 3,-0.1 -2,-0.2 -0.067 117.0 -98.7-132.0 29.2 -1.5 -47.9 -30.2 206 206 A N T 3 5S- 0 0 159 -3,-0.3 -3,-0.2 1,-0.3 3,-0.1 0.819 79.1 -53.9 60.3 35.4 1.8 -49.4 -28.9 207 207 A G T 3 - 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0 0 12 -2,-0.6 3,-2.2 -175,-0.4 -45,-0.1 -0.278 16.6-128.8 -53.2 131.5 -7.9 -37.0 -18.5 243 243 A T G > S+ 0 0 50 1,-0.3 3,-2.1 -47,-0.2 -1,-0.1 0.735 105.1 75.7 -61.5 -21.2 -9.2 -37.3 -22.1 244 244 A K G 3 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.755 98.5 47.7 -57.7 -21.6 -12.7 -37.4 -20.6 245 245 A N G < 0 0 68 -3,-2.2 -1,-0.3 -178,-0.1 -2,-0.2 0.168 360.0 360.0-101.8 16.8 -12.1 -33.6 -20.2 246 246 A I < 0 0 96 -3,-2.1 -2,-0.2 -5,-0.0 -3,-0.1 0.706 360.0 360.0-122.4 360.0 -10.8 -32.9 -23.7